Found 91 hits of kd data for polymerid = 50000594 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM25617
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22) | PDB
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| Article
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| n/a | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50026612
(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- | PDB
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| Article
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| n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50355504
(CHEMBL1908393)Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21| Show InChI InChI=1S/C34H36F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3,5-9,12,19-22H,2,4,10-11,13-18H2,1H3,(H,38,41)(H,39,42) | PDB
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| Article
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| n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM26300
(2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}qu...)Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 Show InChI InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33) | PDB
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| n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50605511
(CHEMBL5193786)Show SMILES Cn1cc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)cn1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01756
BindingDB Entry DOI: 10.7270/Q20R9TH8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
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| n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM473171
((3R,4S)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r| Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17+/m0/s1 | PDB
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| US Patent
| n/a | n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a |
SABILA BIOSCIENCES LLC
US Patent
| Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an... |
US Patent US10844038 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VZ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM473176
(US10844038, Example 37 | US10844038, Example 38 | ...)Show SMILES COC1CSSC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C22H21N5O2S2/c1-28-17-12-30-31-18(17)11-27-22-19(21(23)24-13-25-22)20(26-27)14-7-9-16(10-8-14)29-15-5-3-2-4-6-15/h2-10,13,17-18H,11-12H2,1H3,(H2,23,24,25) | PDB
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| PC cid
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| US Patent
| n/a | n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a |
SABILA BIOSCIENCES LLC
US Patent
| Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an... |
US Patent US10844038 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VZ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM473176
(US10844038, Example 37 | US10844038, Example 38 | ...)Show SMILES COC1CSSC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C22H21N5O2S2/c1-28-17-12-30-31-18(17)11-27-22-19(21(23)24-13-25-22)20(26-27)14-7-9-16(10-8-14)29-15-5-3-2-4-6-15/h2-10,13,17-18H,11-12H2,1H3,(H2,23,24,25) | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a |
SABILA BIOSCIENCES LLC
US Patent
| Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an... |
US Patent US10844038 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VZ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM473182
(US10844038, Example 30 | trans 3-((4-Amino-3-(4-ch...)Show InChI InChI=1S/C15H14ClN5OS2/c16-9-3-1-8(2-4-9)13-12-14(17)18-7-19-15(12)21(20-13)5-11-10(22)6-23-24-11/h1-4,7,10-11,22H,5-6H2,(H2,17,18,19) | PDB
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| PC cid
PC sid
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| US Patent
| n/a | n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a |
SABILA BIOSCIENCES LLC
US Patent
| Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an... |
US Patent US10844038 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VZ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM473175
((3S,4S)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)Show SMILES Nc1ncnc2n(C[C@@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r| Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a |
SABILA BIOSCIENCES LLC
US Patent
| Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an... |
US Patent US10844038 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VZ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM473172
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r| Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a |
SABILA BIOSCIENCES LLC
US Patent
| Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an... |
US Patent US10844038 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VZ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM473174
((3S,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)Show SMILES Nc1ncnc2n(C[C@@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r| Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17+/m1/s1 | PDB
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| US Patent
| n/a | n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a |
SABILA BIOSCIENCES LLC
US Patent
| Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an... |
US Patent US10844038 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VZ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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| n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM36409
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19) | PDB
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| n/a | n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50355494
(CHEMBL1908396)Show SMILES COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1 Show InChI InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29) | PDB
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| n/a | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB
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| n/a | n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM25118
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50532781
(CHEMBL4571241)Show SMILES CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1 Show InChI InChI=1S/C30H27FN4O5/c1-6-17-7-9-23-20(11-17)28(36)27(16(2)35(23)3)29(37)34-18-8-10-24(21(31)12-18)40-30-19-13-25(38-4)26(39-5)14-22(19)32-15-33-30/h7-15H,6H2,1-5H3,(H,34,37) | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to human MEK5 |
J Med Chem 59: 6807-25 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00608
BindingDB Entry DOI: 10.7270/Q2N301FS |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50532781
(CHEMBL4571241)Show SMILES CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1 Show InChI InChI=1S/C30H27FN4O5/c1-6-17-7-9-23-20(11-17)28(36)27(16(2)35(23)3)29(37)34-18-8-10-24(21(31)12-18)40-30-19-13-25(38-4)26(39-5)14-22(19)32-15-33-30/h7-15H,6H2,1-5H3,(H,34,37) | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to human MEK5 |
J Med Chem 59: 6807-25 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00608
BindingDB Entry DOI: 10.7270/Q2N301FS |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM60665
(BDBM50249542 | US9145414, R406 | US9212178, R406)Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50342916
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...)Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3 | PDB
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National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human Mek5 |
Bioorg Med Chem Lett 21: 3152-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM21
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM473183
((3R,4R)-3-((4-amino-3-(4-methoxyphenyl)-1H-pyrazol...)Show SMILES COc1ccc(cc1)-c1nn(C[C@H]2SSC[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C16H17N5O2S2/c1-23-10-4-2-9(3-5-10)14-13-15(17)18-8-19-16(13)21(20-14)6-12-11(22)7-24-25-12/h2-5,8,11-12,22H,6-7H2,1H3,(H2,17,18,19)/t11-,12-/m1/s1 | PDB
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| US Patent
| n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a |
SABILA BIOSCIENCES LLC
US Patent
| Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an... |
US Patent US10844038 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VZ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM473178
(US10844038, Example 39 | US10844038, Example 40 | ...)Show SMILES Nc1ncnc2n(CC3SSCC3OCc3ccccc3)nc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C28H25N5O2S2/c29-27-25-26(20-11-13-22(14-12-20)35-21-9-5-2-6-10-21)32-33(28(25)31-18-30-27)15-24-23(17-36-37-24)34-16-19-7-3-1-4-8-19/h1-14,18,23-24H,15-17H2,(H2,29,30,31) | PDB
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SABILA BIOSCIENCES LLC
US Patent
| Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an... |
US Patent US10844038 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VZ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM473178
(US10844038, Example 39 | US10844038, Example 40 | ...)Show SMILES Nc1ncnc2n(CC3SSCC3OCc3ccccc3)nc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C28H25N5O2S2/c29-27-25-26(20-11-13-22(14-12-20)35-21-9-5-2-6-10-21)32-33(28(25)31-18-30-27)15-24-23(17-36-37-24)34-16-19-7-3-1-4-8-19/h1-14,18,23-24H,15-17H2,(H2,29,30,31) | PDB
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SABILA BIOSCIENCES LLC
US Patent
| Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an... |
US Patent US10844038 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VZ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM473181
(US10844038, Example 28 | trans 3-((4-Amino-3-pheny...)Show InChI InChI=1S/C15H15N5OS2/c16-14-12-13(9-4-2-1-3-5-9)19-20(15(12)18-8-17-14)6-11-10(21)7-22-23-11/h1-5,8,10-11,21H,6-7H2,(H2,16,17,18) | PDB
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SABILA BIOSCIENCES LLC
US Patent
| Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an... |
US Patent US10844038 (2020)
BindingDB Entry DOI: 10.7270/Q25D8VZ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM6568
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50161957
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM31095
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50268010
(CHEMBL4098896)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28) | PDB
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State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Binding affinity to partial length human MEK5 expressed in HEK293 cells by active-site-dependent competition assay |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50355499
(CHEMBL1908395 | CHEMBL1908842)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31| Show InChI InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50355496
(CHEMBL1908397)Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM25117
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ | PDB
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| n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50086266
(CHEMBL3425865)Show InChI InChI=1S/C19H21N3O4S/c1-23-15-9-12(10-16(24-2)18(15)25-3)13-8-14-17(20-11-13)19(27-21-14)22-4-6-26-7-5-22/h8-11H,4-7H2,1-3H3 | PDB
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| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
KU Leuven
Curated by ChEMBL
| Assay Description
Binding affinity to human MEK5 |
J Med Chem 58: 3393-410 (2015)
Article DOI: 10.1021/jm501759m
BindingDB Entry DOI: 10.7270/Q2XD13D4 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
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| n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB
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| n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM482158
(BDBM50242742 | TAE684)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50332294
(CHEMBL1287853 | N-tert-butyl-3-(5-methyl-2-(4-(2-(...)Show SMILES Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31) | PDB
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| n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM6511
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22) | PDB
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TBA
| Assay Description
Binding affinity to human wild type partial length MEK5 (L98 to P448 residues) expressed in mammalian expression system by Kinomescan method |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
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| n/a | n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
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| n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MEK5 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
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